(1S)-1,4,5-triaminopentan-1-ol

C5H15N3O — CID 88903954

IUPAC(1S)-1,4,5-triaminopentan-1-ol
SMILESNCC(N)CC[C@@H](N)O
InChIInChI=1S/C5H15N3O/c6-3-4(7)1-2-5(8)9/h4-5,9H,1-3,6-8H2/t4?,5-/m0/s1
InChIKeyRMKYEPLAJUMOEV-AKGZTFGVSA-N
MW133.19 g/mol
LogP-1.67
Rot. Bonds4

About (1S)-1,4,5-triaminopentan-1-ol

(1S)-1,4,5-triaminopentan-1-ol (PubChem CID 88903954) has the molecular formula C5H15N3O and a molecular weight of 133.19 g/mol. Its IUPAC name is (1S)-1,4,5-triaminopentan-1-ol.

Molecular Properties

Compound Name(1S)-1,4,5-triaminopentan-1-ol
PubChem CID88903954
Molecular FormulaC5H15N3O
Molecular Weight133.19 g/mol
Exact Mass133.12
IUPAC Name(1S)-1,4,5-triaminopentan-1-ol
SMILESNCC(N)CC[C@@H](N)O
InChIInChI=1S/C5H15N3O/c6-3-4(7)1-2-5(8)9/h4-5,9H,1-3,6-8H2/t4?,5-/m0/s1
InChIKeyRMKYEPLAJUMOEV-AKGZTFGVSA-N
XLogP-1.67
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

disodium;1,2-diaminoethanol;hydride
CID 175201156
1,3-diaminopropan-1-ol
CID 10419133
5-ethylheptane-1,2-diamine
CID 57197564
1-amino-4-(2-hydroxyethyl)hexane-1,6-diol
CID 57138819
3,4-diaminobutane-1,1,1-triol
CID 54181770
5,6-diaminohexanamide
CID 163484084
(3,4-diaminobutylamino)methanol
CID 142772966
1,6-diaminohexan-1-ol
CID 57008257
decane-1,2-diamine
CID 517618
(2R)-decane-1,2-diamine
CID 102595281
octane-1,3,6,8-tetramine
CID 18680656
sodium;heptane-1,2-diamine;hydride;propanoic acid
CID 175479075

Frequently Asked Questions

What is the IUPAC name of (1S)-1,4,5-triaminopentan-1-ol?
The IUPAC name of (1S)-1,4,5-triaminopentan-1-ol (CID 88903954) is (1S)-1,4,5-triaminopentan-1-ol.
What is the SMILES notation for (1S)-1,4,5-triaminopentan-1-ol?
The canonical SMILES for (1S)-1,4,5-triaminopentan-1-ol is NCC(N)CC[C@@H](N)O.
What is the InChIKey of (1S)-1,4,5-triaminopentan-1-ol?
The InChIKey is RMKYEPLAJUMOEV-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H15N3O/c6-3-4(7)1-2-5(8)9/h4-5,9H,1-3,6-8H2/t4?,5-/m0/s1.
What are the key properties of (1S)-1,4,5-triaminopentan-1-ol?
(1S)-1,4,5-triaminopentan-1-ol has a molecular weight of 133.19 g/mol, XLogP of -1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,4,5-triaminopentan-1-ol is sourced from PubChem (CID 88903954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).